MMsINC Database Search


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MMsINC code: MMs02253439

Type: Neutral
Formula: C₂₃H₃₄N₂

SMILES:

N(C)(C)c1ccc(cc1)C(CCCCCC)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H34N2/c1-6-7-8-9-10-23(19-11-15-21(16-12-19)24(2)3)20-13-17-22(18-14-20)25(4)5/h11-18,23H,6-10H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.657 kcal/mol

Physical Properties
Molecular Weight: 338.539 g/mol	logS: -6.4474	SlogP: 5.9209	Reactive groups: 0

Topological Properties
Globularity: 0.120556	Sterimol/B1: 2.60549	Sterimol/B2: 3.50976	Sterimol/B3: 4.42392
Sterimol/B4: 11.3544	Sterimol/L: 17.7772

Surface and Volume Properties
Accessible surface: 700.578	Positive charged surface: 565.683	Negative charged surface: 134.895	Volume: 389.875
Hydrophobic surface: 676.795	Hydrophilic surface: 23.783

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.